CID 67738892

3-chloro-2-methylpyridin-4-ol

Structural Information

Molecular Formula
C6H6ClNO
SMILES
CC1=C(C(=O)C=CN1)Cl
InChI
InChI=1S/C6H6ClNO/c1-4-6(7)5(9)2-3-8-4/h2-3H,1H3,(H,8,9)
InChIKey
KCNAOZGLCCBDMQ-UHFFFAOYSA-N
Compound name
3-chloro-2-methyl-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

143.0138 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.021076 122.1
[M+Na]+ 166.003018 133.3
[M-H]- 142.006524 123.7
[M+NH4]+ 161.047623 143.0
[M+K]+ 181.976958 129.1
[M+H-H2O]+ 126.011060 117.6
[M+HCOO]- 188.012001 140.6
[M+CH3COO]- 202.027651 169.6
[M+Na-2H]- 163.988466 129.7
[M]+ 143.01325142 122.9
[M]- 143.01434858 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe